1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine

C17H27NO3 — CID 116523105

IUPAC1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCC1CCC(C)(C)O1
InChIInChI=1S/C17H27NO3/c1-12(18)9-13-5-6-15(19-4)16(10-13)20-11-14-7-8-17(2,3)21-14/h5-6,10,12,14H,7-9,11,18H2,1-4H3
InChIKeyVEKJPKGPDASDOV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds6

About 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine

1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine (PubChem CID 116523105) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
PubChem CID116523105
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCC1CCC(C)(C)O1
InChIInChI=1S/C17H27NO3/c1-12(18)9-13-5-6-15(19-4)16(10-13)20-11-14-7-8-17(2,3)21-14/h5-6,10,12,14H,7-9,11,18H2,1-4H3
InChIKeyVEKJPKGPDASDOV-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 116523117
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898749
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine (CID 116523105) is 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine is COc1ccc(CC(C)N)cc1OCC1CCC(C)(C)O1.
What is the InChIKey of 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine?
The InChIKey is VEKJPKGPDASDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18)9-13-5-6-15(19-4)16(10-13)20-11-14-7-8-17(2,3)21-14/h5-6,10,12,14H,7-9,11,18H2,1-4H3.
What are the key properties of 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine?
1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 116523105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).